Geometry & MOs

Info

ID:	33348
PubChem CID:	7886030
Reduced:	N2S2O3C18H22 (1)
Stoich.:	A2B2C3D18E22 (1)
Weight, g/mol:	397.109627
ΔH_f, kcal/mol:	-98.17
Dipole, Da:	3.14
IP(EA), eV:	-8.44(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-methyl-3-[[2-(12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-11-yl)acetyl]amino]benzoate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)CSC1=NC2=C(C3=C(S2)CCC3)C(=O)N1CC=C

DOS

IR

Vibrations